solvent continuum
Hi all,
I want to extend the ECEPP/2 force field with a solvation
energy term.
Is there a stand-alone package that calculates the energy of
solvation and that I can use with the ECEPP/2 f.f. .
Thanks,
Jean-Luc
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Verschelde Jean-Luc
University of Ghent
Lab. of Physiological Chemistry
K.L. Ledeganckstraat 35
9000 Ghent
Belgium.
Tel.:09/264 53 06 Fax:09/264 53 37
Email:Jeanluc.Verschelde(-(at)-)rug.ac.be
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